acompound

Showing entry for Mandelic Acid

General Compound Information
BXGC Id	BXGC0020680
Compound Name	Mandelic Acid
Structure
Formula	C8H8O3
InchiKey	IWYDHOAUDWTVEP-UHFFFAOYSA-N
SMILES	OC(c1ccccc1)C(=O)O
Inchi	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
IUPAC	2-hydroxy-2-phenylacetic acid
Molecular Weight	152.05
Pubchem Id	1292
Chembl Id	CHEMBL1609

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

92715

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT008271	Prolyl 4-hydroxylase subunit alpha-1	reviewed		P4HA1	>20000000	-	-	-

CHEMBL

CHEMBL1609

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q64346	BXGT016113	Dual specificity protein phosphatase 6	reviewed	-	Dusp6	IC50	'>'	100000	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	79432	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	89125	nM
P14902	BXGT008065	Indoleamine 2,3-dioxygenase 1	reviewed	-	IDO1	Inhibition	-	-	-
Q969S8	BXGT019613	Polyamine deacetylase HDAC10	reviewed	Epigenetic regulator	HDAC10	Activity	'='	85	%
Q9UKV0	BXGT021750	Histone deacetylase 9	reviewed	Epigenetic regulator	HDAC9	Activity	'='	85	%
P56524	BXGT011176	Histone deacetylase 4	reviewed	Epigenetic regulator	HDAC4	Activity	'='	85	%
Q96DB2	BXGT019639	Histone deacetylase 11	reviewed	Epigenetic regulator	HDAC11	Activity	'='	85	%
Q9BY41	BXGT020180	Histone deacetylase 8	reviewed	Epigenetic regulator	HDAC8	Activity	'='	85	%
Q8WUI4	BXGT018992	Histone deacetylase 7	reviewed	Epigenetic regulator	HDAC7	Activity	'='	85	%
Q9UQL6	BXGT021813	Histone deacetylase 5	reviewed	Epigenetic regulator	HDAC5	Activity	'='	85	%
Q92769	BXGT019370	Histone deacetylase 2	reviewed	Epigenetic regulator	HDAC2	Activity	'='	85	%
Q9UBN7	BXGT021658	Histone deacetylase 6	reviewed	Epigenetic regulator	HDAC6	Activity	'='	85	%
O15379	BXGT004159	Histone deacetylase 3	reviewed	Epigenetic regulator	HDAC3	Activity	'='	85	%
Q13547	BXGT013373	Histone deacetylase 1	reviewed	Epigenetic regulator	HDAC1	Activity	'='	85	%
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	39810	nM
P11142	BXGT007658	Heat shock cognate 71 kDa protein	reviewed	-	HSPA8	IC50	'>'	100000	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	7943	nM
P04406	BXGT006207	Glyceraldehyde-3-phosphate dehydrogenase	reviewed	Enzyme	GAPDH	IC50	'>'	100000	nM
P53987	BXGT011023	Monocarboxylate transporter 1	reviewed	-	Slc16a1	Activity	'='	97	%
Q66HS9	BXGT016172	Monocarboxylate transporter 2	unreviewed	-	Slc16a7	Activity	'='	117	%
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	26679	nM
P0DMV8	BXGT007509	Heat shock 70 kDa protein 1A	reviewed	-	HSPA1A	IC50	'>'	100000	nM
P35236	BXGT009802	Tyrosine-protein phosphatase non-receptor type 7	reviewed	Enzyme	PTPN7	IC50	'>'	100000	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	29934	nM
P04190	BXGT006169	Metallo-beta-lactamase type 2	reviewed	-	blm	Inhibition	-	-	-
P26918	BXGT009144	Metallo-beta-lactamase type 2	reviewed	-	cphA	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}